N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C26H26N4O5 — CID 155431586

IUPACN-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCC(=O)NO)[nH]c2c1=O
InChIInChI=1S/C26H26N4O5/c1-30-16-20(18-11-5-6-12-22(18)35-17-9-3-2-4-10-17)19-15-21(28-24(19)26(30)33)25(32)27-14-8-7-13-23(31)29-34/h2-6,9-12,15-16,28,34H,7-8,13-14H2,1H3,(H,27,32)(H,29,31)
InChIKeyIEVUMROHFZOVMK-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.73
Rot. Bonds9

About N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431586) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431586
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC NameN-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCC(=O)NO)[nH]c2c1=O
InChIInChI=1S/C26H26N4O5/c1-30-16-20(18-11-5-6-12-22(18)35-17-9-3-2-4-10-17)19-15-21(28-24(19)26(30)33)25(32)27-14-8-7-13-23(31)29-34/h2-6,9-12,15-16,28,34H,7-8,13-14H2,1H3,(H,27,32)(H,29,31)
InChIKeyIEVUMROHFZOVMK-UHFFFAOYSA-N
XLogP3.73
TPSA125.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431586) is N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCC(=O)NO)[nH]c2c1=O.
What is the InChIKey of N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IEVUMROHFZOVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-30-16-20(18-11-5-6-12-22(18)35-17-9-3-2-4-10-17)19-15-21(28-24(19)26(30)33)25(32)27-14-8-7-13-23(31)29-34/h2-6,9-12,15-16,28,34H,7-8,13-14H2,1H3,(H,27,32)(H,29,31).
What are the key properties of N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 3.73, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxyamino)-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).